4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

C25H25ClF3N5O4 — CID 69490349

IUPAC4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(C(F)(F)F)c(OCCN(C)C)c3Cl)c2)ccn1
InChIInChI=1S/C25H25ClF3N5O4/c1-30-23(35)20-14-17(9-10-31-20)38-16-6-4-5-15(13-16)32-24(36)33-19-8-7-18(25(27,28)29)22(21(19)26)37-12-11-34(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,30,35)(H2,32,33,36)
InChIKeyCHAMSZIVZYKOLR-UHFFFAOYSA-N
MW551.95 g/mol
LogP5.49
Rot. Bonds9

About 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide

4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (PubChem CID 69490349) has the molecular formula C25H25ClF3N5O4 and a molecular weight of 551.95 g/mol. Its IUPAC name is 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
PubChem CID69490349
Molecular FormulaC25H25ClF3N5O4
Molecular Weight551.95 g/mol
Exact Mass551.15
IUPAC Name4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(C(F)(F)F)c(OCCN(C)C)c3Cl)c2)ccn1
InChIInChI=1S/C25H25ClF3N5O4/c1-30-23(35)20-14-17(9-10-31-20)38-16-6-4-5-15(13-16)32-24(36)33-19-8-7-18(25(27,28)29)22(21(19)26)37-12-11-34(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,30,35)(H2,32,33,36)
InChIKeyCHAMSZIVZYKOLR-UHFFFAOYSA-N
XLogP5.49
TPSA104.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.95
LogP ≤ 55.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide with MolForge

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Related Compounds

4-[3-[[2-chloro-3-(2-piperazin-1-ylethoxy)-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69490256
4-[4-[[2-chloro-3-(2-piperazin-1-ylethoxy)-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491472
4-[3-[2-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]-N-methylpyridine-2-carboxamide
CID 11306141
4-[4-[[2-chloro-3-piperidin-4-yloxy-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491587
4-[3-[[4-chloro-2-(2-pyrrolidin-1-ylethoxy)-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 58919817
N-methyl-4-[3-[[2-[2-(methylamino)ethoxy]-5-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 58919866
4-[3-[[3-(2-amino-2-methylpropoxy)-2-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide
CID 69491484
N-methyl-4-[3-[2-[[4-(trifluoromethyl)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11476310
4-[4-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoylamino]-3-fluorophenoxy]-N-methylpyridine-2-carboxamide;pentane
CID 144702966
N'-[3-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]-N-[4-(trifluoromethyl)phenyl]propanediamide
CID 58968812
N-methyl-4-[4-[[2-(2-piperazin-1-ylethoxy)-3-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]pyridine-2-carboxamide
CID 69490272
N-methyl-4-[3-[2-[[4-(trifluoromethoxy)phenyl]carbamoyl]hydrazinyl]phenoxy]pyridine-2-carboxamide
CID 11385670

Frequently Asked Questions

What is the IUPAC name of 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The IUPAC name of 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide (CID 69490349) is 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The canonical SMILES for 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is CNC(=O)c1cc(Oc2cccc(NC(=O)Nc3ccc(C(F)(F)F)c(OCCN(C)C)c3Cl)c2)ccn1.
What is the InChIKey of 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
The InChIKey is CHAMSZIVZYKOLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClF3N5O4/c1-30-23(35)20-14-17(9-10-31-20)38-16-6-4-5-15(13-16)32-24(36)33-19-8-7-18(25(27,28)29)22(21(19)26)37-12-11-34(2)3/h4-10,13-14H,11-12H2,1-3H3,(H,30,35)(H2,32,33,36).
What are the key properties of 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide?
4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide has a molecular weight of 551.95 g/mol, XLogP of 5.49, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[[2-chloro-3-[2-(dimethylamino)ethoxy]-4-(trifluoromethyl)phenyl]carbamoylamino]phenoxy]-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 69490349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).